5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one

C29H44N4O2 — CID 10552754

IUPAC5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one
SMILESCC1(C)Cc2[nH]c(=O)ccc2C(NCCCCCCCNC2CC(C)(C)Cc3[nH]c(=O)ccc32)C1
InChIInChI=1S/C29H44N4O2/c1-28(2)16-22(20-10-12-26(34)32-24(20)18-28)30-14-8-6-5-7-9-15-31-23-17-29(3,4)19-25-21(23)11-13-27(35)33-25/h10-13,22-23,30-31H,5-9,14-19H2,1-4H3,(H,32,34)(H,33,35)
InChIKeyQRRPMQVLEPMDBY-UHFFFAOYSA-N
MW480.70 g/mol
LogP4.92
Rot. Bonds10

About 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one

5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one (PubChem CID 10552754) has the molecular formula C29H44N4O2 and a molecular weight of 480.70 g/mol. Its IUPAC name is 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one
PubChem CID10552754
Molecular FormulaC29H44N4O2
Molecular Weight480.70 g/mol
Exact Mass480.35
IUPAC Name5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one
SMILESCC1(C)Cc2[nH]c(=O)ccc2C(NCCCCCCCNC2CC(C)(C)Cc3[nH]c(=O)ccc32)C1
InChIInChI=1S/C29H44N4O2/c1-28(2)16-22(20-10-12-26(34)32-24(20)18-28)30-14-8-6-5-7-9-15-31-23-17-29(3,4)19-25-21(23)11-13-27(35)33-25/h10-13,22-23,30-31H,5-9,14-19H2,1-4H3,(H,32,34)(H,33,35)
InChIKeyQRRPMQVLEPMDBY-UHFFFAOYSA-N
XLogP4.92
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.70
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one (CID 10552754) is 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one is CC1(C)Cc2[nH]c(=O)ccc2C(NCCCCCCCNC2CC(C)(C)Cc3[nH]c(=O)ccc32)C1.
What is the InChIKey of 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one?
The InChIKey is QRRPMQVLEPMDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O2/c1-28(2)16-22(20-10-12-26(34)32-24(20)18-28)30-14-8-6-5-7-9-15-31-23-17-29(3,4)19-25-21(23)11-13-27(35)33-25/h10-13,22-23,30-31H,5-9,14-19H2,1-4H3,(H,32,34)(H,33,35).
What are the key properties of 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one?
5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one has a molecular weight of 480.70 g/mol, XLogP of 4.92, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinolin-5-yl)amino]heptylamino]-7,7-dimethyl-1,5,6,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 10552754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).